1,1'-biphenyl;2-[4-(2-phenylethenyl)phenyl]tetrazole

C27H22N4 — CID 172863194

IUPAC1,1'-biphenyl;2-[4-(2-phenylethenyl)phenyl]tetrazole
SMILESC(=Cc1ccc(-n2ncnn2)cc1)c1ccccc1.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C15H12N4.C12H10/c1-2-4-13(5-3-1)6-7-14-8-10-15(11-9-14)19-17-12-16-18-19;1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-12H;1-10H
InChIKeyZQCPFYDAIZPWRV-UHFFFAOYSA-N
MW402.50 g/mol
LogP6.19
Rot. Bonds4

About 1,1'-biphenyl;2-[4-(2-phenylethenyl)phenyl]tetrazole

1,1'-biphenyl;2-[4-(2-phenylethenyl)phenyl]tetrazole (PubChem CID 172863194) has the molecular formula C27H22N4 and a molecular weight of 402.50 g/mol. Its IUPAC name is 1,1'-biphenyl;2-[4-(2-phenylethenyl)phenyl]tetrazole.

Molecular Properties

Compound Name1,1'-biphenyl;2-[4-(2-phenylethenyl)phenyl]tetrazole
PubChem CID172863194
Molecular FormulaC27H22N4
Molecular Weight402.50 g/mol
Exact Mass402.18
IUPAC Name1,1'-biphenyl;2-[4-(2-phenylethenyl)phenyl]tetrazole
SMILESC(=Cc1ccc(-n2ncnn2)cc1)c1ccccc1.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C15H12N4.C12H10/c1-2-4-13(5-3-1)6-7-14-8-10-15(11-9-14)19-17-12-16-18-19;1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-12H;1-10H
InChIKeyZQCPFYDAIZPWRV-UHFFFAOYSA-N
XLogP6.19
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.50
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1'-biphenyl;2-[4-(2-phenylethenyl)phenyl]tetrazole?
The IUPAC name of 1,1'-biphenyl;2-[4-(2-phenylethenyl)phenyl]tetrazole (CID 172863194) is 1,1'-biphenyl;2-[4-(2-phenylethenyl)phenyl]tetrazole.
What is the SMILES notation for 1,1'-biphenyl;2-[4-(2-phenylethenyl)phenyl]tetrazole?
The canonical SMILES for 1,1'-biphenyl;2-[4-(2-phenylethenyl)phenyl]tetrazole is C(=Cc1ccc(-n2ncnn2)cc1)c1ccccc1.c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1,1'-biphenyl;2-[4-(2-phenylethenyl)phenyl]tetrazole?
The InChIKey is ZQCPFYDAIZPWRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4.C12H10/c1-2-4-13(5-3-1)6-7-14-8-10-15(11-9-14)19-17-12-16-18-19;1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-12H;1-10H.
What are the key properties of 1,1'-biphenyl;2-[4-(2-phenylethenyl)phenyl]tetrazole?
1,1'-biphenyl;2-[4-(2-phenylethenyl)phenyl]tetrazole has a molecular weight of 402.50 g/mol, XLogP of 6.19, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1'-biphenyl;2-[4-(2-phenylethenyl)phenyl]tetrazole is sourced from PubChem (CID 172863194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).